%chk=000215577.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215577

0 1
S -2.840953 0.680522 1.514832
O 5.713362 -0.014830 0.051536
O -0.633579 1.313657 -0.886907
O -0.431586 2.883610 0.732783
N 2.917018 0.337461 -0.409978
C 3.750448 1.445342 0.165102
C 3.464744 -0.989457 0.025447
C 1.481797 0.487547 -0.014843
C 5.195053 1.276279 -0.330233
C 4.917362 -1.099418 -0.466861
C 0.808898 1.319168 -1.115380
C -1.135306 2.132505 0.104607
C -2.610071 1.912511 0.209160
C -3.145405 -0.828635 0.658544
C -2.388722 -1.225398 -0.444469
C -4.147772 -1.647148 1.187720
C -2.644748 -2.468360 -1.032649
C -4.387277 -2.893343 0.599457
C -3.639564 -3.302157 -0.510489
H 3.733577 1.467188 1.276680
H 3.339044 2.415597 -0.185777
H 2.850696 -1.792227 -0.435033
H 3.429394 -1.132428 1.127002
H 1.331841 0.974182 0.975241
H 0.980716 -0.502355 0.054572
H 5.268243 1.382245 -1.426856
H 5.892563 1.969402 0.171583
H 5.430274 -1.987161 -0.057777
H 4.976621 -1.093298 -1.569597
H 0.881367 0.851784 -2.113894
H 1.166341 2.361748 -1.145318
H -3.125611 2.848898 0.518860
H -3.064371 1.601894 -0.754196
H -1.602340 -0.580162 -0.850355
H -4.740706 -1.326465 2.045147
H -2.064619 -2.787429 -1.897364
H -5.161407 -3.543572 1.004461
H -3.833123 -4.270898 -0.968858


%chk=000215577-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215577

0 1
S -2.742698 0.640352 1.602802
O 5.959665 0.437154 0.276822
O -0.506595 1.021485 -1.024290
O -0.187710 2.852373 0.391627
N 3.144973 0.277698 -0.402326
C 3.691917 1.442587 0.344445
C 3.929145 -0.946236 -0.098072
C 1.682650 0.123589 -0.239839
C 5.170662 1.646030 -0.019395
C 5.405816 -0.710854 -0.460118
C 0.964490 0.991388 -1.292279
C -0.942760 1.991713 -0.114989
C -2.424307 1.854751 0.167006
C -3.351278 -0.866086 0.725105
C -2.821931 -1.303740 -0.512135
C -4.361217 -1.613646 1.378743
C -3.325991 -2.486450 -1.101371
C -4.838968 -2.807003 0.791543
C -4.328954 -3.244177 -0.453255
H 3.603271 1.286252 1.448290
H 3.116436 2.351338 0.089767
H 3.534124 -1.788377 -0.697012
H 3.860134 -1.225276 0.982860
H 1.333987 0.412298 0.778962
H 1.408040 -0.936109 -0.390692
H 5.257903 1.894891 -1.099049
H 5.623551 2.448329 0.585934
H 6.029151 -1.573952 -0.173349
H 5.493050 -0.531375 -1.553735
H 1.056441 0.562796 -2.300875
H 1.347094 2.025838 -1.279002
H -2.816935 2.822855 0.509499
H -2.983038 1.492799 -0.708237
H -2.019782 -0.740336 -1.000222
H -4.777949 -1.259874 2.327982
H -2.921038 -2.820423 -2.063457
H -5.619845 -3.382715 1.300648
H -4.709304 -4.163086 -0.912436


